SCHEMBL765657

SCHEMBL765657

COc1cc(Oc2ccc(Cl)cc2F)ccc1CNC(=O)C1(NC(=O)c2cncnc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.44
LPAR1 Q92633 1/20 0.41
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR1 P21554 2/20 0.37
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MMP2 P08253 1/20 0.36
SCN9A Q15858 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM4E B2RXH2 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12239080 0.91 BDKRB1 (0.45) BDKRB1ROCK2ALDH1A1TSHRNPSR1
SCHEMBL765524 0.87 BDKRB1 (0.51) BDKRB1ALDH1A1TSHRCNR1SCN9A
SCHEMBL764471 0.86 BDKRB1 (0.43) BDKRB1LPAR1ROCK2ROCK1CNR1
SCHEMBL10121264 0.84 BDKRB1 (0.49) BDKRB1ALDH1A1TSHRCNR1
SCHEMBL765522 0.84 BDKRB1 (0.50) BDKRB1CNR1
Hydrochloric Acid SCHEMBL2546804 0.83 BDKRB1 (0.49) BDKRB1CNR1
SCHEMBL12262806 0.82 BDKRB1 (0.55) BDKRB1ALDH1A1CNR1
SCHEMBL2547691 0.82 BDKRB1 (0.53) BDKRB1ROCK2CNR1
SCHEMBL765633 0.81 BDKRB1 (0.49) BDKRB1CNR1
SCHEMBL10121221 0.81 BDKRB1 (0.47) BDKRB1CNR1HTR2ASLC6A4KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB BDKRB1 1/4885LPAR1 214/4885ROCK2 2616/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.